(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol

C24H26O9 — CID 162982504

IUPAC(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol
SMILESCC1(C)Oc2cc3oc(-c4cc(O)cc(O[C@@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)c4)cc3cc2C[C@@H]1O
InChIInChI=1S/C24H26O9/c1-24(2)20(27)7-12-3-11-6-17(32-18(11)9-19(12)33-24)13-4-14(25)8-15(5-13)31-23-22(29)21(28)16(26)10-30-23/h3-6,8-9,16,20-23,25-29H,7,10H2,1-2H3/t16-,20+,21-,22-,23+/m1/s1
InChIKeyOHVJCFZJKPEJRL-INHYGKKTSA-N
MW458.46 g/mol
LogP1.70
Rot. Bonds3

About (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol

(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol (PubChem CID 162982504) has the molecular formula C24H26O9 and a molecular weight of 458.46 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol
PubChem CID162982504
Molecular FormulaC24H26O9
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC Name(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol
SMILESCC1(C)Oc2cc3oc(-c4cc(O)cc(O[C@@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)c4)cc3cc2C[C@@H]1O
InChIInChI=1S/C24H26O9/c1-24(2)20(27)7-12-3-11-6-17(32-18(11)9-19(12)33-24)13-4-14(25)8-15(5-13)31-23-22(29)21(28)16(26)10-30-23/h3-6,8-9,16,20-23,25-29H,7,10H2,1-2H3/t16-,20+,21-,22-,23+/m1/s1
InChIKeyOHVJCFZJKPEJRL-INHYGKKTSA-N
XLogP1.70
TPSA141.98 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
CID 163023546
(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 1150962
5-hydroxy-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 122211341
6-[3,5-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 131832478
3-[6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]phenol
CID 53306269
2-[3,4-dihydroxy-5-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
CID 162981007
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]chromen-4-one
CID 162973817
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methyloxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 155067018
3-[(3S)-3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5-hydroxy-7-methoxychromen-4-one
CID 163067079
5,6,7-trihydroxy-2-[4-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]chromen-4-one
CID 162900879
2-[2-(4-methylphenyl)-5,6-dihydrofuro[3,2-f][1]benzofuran-6-yl]propan-2-ol
CID 53306438
2-[4,5-dihydroxy-2-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
CID 162903938

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol (CID 162982504) is (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol is CC1(C)Oc2cc3oc(-c4cc(O)cc(O[C@@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)c4)cc3cc2C[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol?
The InChIKey is OHVJCFZJKPEJRL-INHYGKKTSA-N. The full InChI is InChI=1S/C24H26O9/c1-24(2)20(27)7-12-3-11-6-17(32-18(11)9-19(12)33-24)13-4-14(25)8-15(5-13)31-23-22(29)21(28)16(26)10-30-23/h3-6,8-9,16,20-23,25-29H,7,10H2,1-2H3/t16-,20+,21-,22-,23+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol?
(2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol has a molecular weight of 458.46 g/mol, XLogP of 1.70, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-[3-hydroxy-5-[(6S)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 162982504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).